Geometry & MOs

Info

ID:	413905
PubChem CID:	135086856
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	428.18271
ΔH_f, kcal/mol:	-32.51
Dipole, Da:	5.45
IP(EA), eV:	-8.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-1-undec-4-ynylindol-3-yl)-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CN(C3=CC=CC=C32)C(=O)C

DOS

IR

Vibrations